N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide

C24H26N2O4S — CID 46011324

About N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide

N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide (PubChem CID 46011324) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide
• PubChem CID: 46011324
• Molecular Formula: C24H26N2O4S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide
• SMILES: CCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(=O)c1ccco1
• InChI: InChI=1S/C24H26N2O4S/c1-2-12-25(24(28)21-9-6-14-29-21)16-23(27)26-13-10-22-19(11-15-31-22)20(26)17-30-18-7-4-3-5-8-18/h3-9,11,14-15,20H,2,10,12-13,16-17H2,1H3
• InChIKey: HSZZIBDWSAITAD-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide?

The IUPAC name of N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide (CID 46011324) is N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide?

The canonical SMILES for N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide is CCCN(CC(=O)N1CCc2sccc2C1COc1ccccc1)C(=O)c1ccco1.

What is the InChIKey of N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide?

The InChIKey is HSZZIBDWSAITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-2-12-25(24(28)21-9-6-14-29-21)16-23(27)26-13-10-22-19(11-15-31-22)20(26)17-30-18-7-4-3-5-8-18/h3-9,11,14-15,20H,2,10,12-13,16-17H2,1H3.

What are the key properties of N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide?

N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 46011324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).